2,3-bis(sulfinylamino)benzoyl chloride

C7H3ClN2O3S2 — CID 19021054

IUPAC2,3-bis(sulfinylamino)benzoyl chloride
SMILESO=S=Nc1cccc(C(=O)Cl)c1N=S=O
InChIInChI=1S/C7H3ClN2O3S2/c8-7(11)4-2-1-3-5(9-14-12)6(4)10-15-13/h1-3H
InChIKeyCLABOEDYRTWYDU-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.12
Rot. Bonds3

About 2,3-bis(sulfinylamino)benzoyl chloride

2,3-bis(sulfinylamino)benzoyl chloride (PubChem CID 19021054) has the molecular formula C7H3ClN2O3S2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2,3-bis(sulfinylamino)benzoyl chloride.

Molecular Properties

Compound Name2,3-bis(sulfinylamino)benzoyl chloride
PubChem CID19021054
Molecular FormulaC7H3ClN2O3S2
Molecular Weight262.70 g/mol
Exact Mass261.93
IUPAC Name2,3-bis(sulfinylamino)benzoyl chloride
SMILESO=S=Nc1cccc(C(=O)Cl)c1N=S=O
InChIInChI=1S/C7H3ClN2O3S2/c8-7(11)4-2-1-3-5(9-14-12)6(4)10-15-13/h1-3H
InChIKeyCLABOEDYRTWYDU-UHFFFAOYSA-N
XLogP2.12
TPSA75.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

3-[(3-carbonochloridoyl-2-methylphenyl)diazenyl]-2-methylbenzoyl chloride
CID 134935810
1-(sulfinylamino)-2-(1-sulfinylethyl)benzene
CID 134891630
3-nitrosobenzene-1,2-dicarbonyl chloride
CID 175328999
1,3-dichloro-2-(sulfinylamino)benzene
CID 14908816
2-nitro-5-(sulfinylamino)benzoyl chloride
CID 163824042
benzene-1,2-dicarbonyl chloride;thiohypochlorous acid
CID 172771249
phenazine-1-carbonyl chloride
CID 71668468
2-hydroxy-3-sulfanylbenzoyl chloride
CID 141300950
3-carbonochloridoyl-2-methylbenzoic acid
CID 89389383
naphthalene-1,4,5-tricarbonyl chloride
CID 139807498
2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride
CID 86185812
2-hydroxy-3-propan-2-ylbenzoyl chloride
CID 154138899

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(sulfinylamino)benzoyl chloride?
The IUPAC name of 2,3-bis(sulfinylamino)benzoyl chloride (CID 19021054) is 2,3-bis(sulfinylamino)benzoyl chloride.
What is the SMILES notation for 2,3-bis(sulfinylamino)benzoyl chloride?
The canonical SMILES for 2,3-bis(sulfinylamino)benzoyl chloride is O=S=Nc1cccc(C(=O)Cl)c1N=S=O.
What is the InChIKey of 2,3-bis(sulfinylamino)benzoyl chloride?
The InChIKey is CLABOEDYRTWYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2O3S2/c8-7(11)4-2-1-3-5(9-14-12)6(4)10-15-13/h1-3H.
What are the key properties of 2,3-bis(sulfinylamino)benzoyl chloride?
2,3-bis(sulfinylamino)benzoyl chloride has a molecular weight of 262.70 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(sulfinylamino)benzoyl chloride is sourced from PubChem (CID 19021054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).